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2-[(3,4-difluorophenyl)amino]-N-[2-methyl-5-(piperazin-1-ylmethyl)phenyl]acetamide trihydrochloride

2-[(3,4-difluorophenyl)amino]-N-[2-methyl-5-(piperazin-1-ylmethyl)phenyl]acetamide trihydrochloride

CAS: 309712-55-8

Formula: C20H27Cl3F2N4O

SMILES: Cl.Cl.Cl.CC1=C(NC(=O)CNC2=CC(F)=C(F)C=C2)C=C(CN2CCNCC2)C=C1

IUPAC: 2-[(3,4-difluorophenyl)amino]-N-{2-methyl-5-[(piperazin-1-yl)methyl]phenyl}acetamide trihydrochloride

InChI: InChI=1S/C20H24F2N4O.3ClH/c1-14-2-3-15(13-26-8-6-23-7-9-26)10-19(14)25-20(27)12-24-16-4-5-17(21)18(22)11-16;;;/h2-5,10-11,23-24H,6-9,12-13H2,1H3,(H,25,27);3*1H

Composition: C (49.65%), H (5.63%), Cl (21.98%), F (7.85%), N (11.58%), O (3.31%)

Molar Mass: 483.81

Atom Count: 57

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 482.1218509
Formal Charge 0
FSP3 0.35
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey WSBRAHWNJBXXJM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 105.39
Topological Polar Surface Area 56.4
Polarizability 38.57
Ring Count 3
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 309712-55-8 $36.69-$652.03$36.69$55.04$94.02$168.93$652.03
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